1-{6-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Chemical Structure Depiction of
1-{6-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
1-{6-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane
Compound characteristics
| Compound ID: | G856-8676 |
| Compound Name: | 1-{6-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]pyridazin-3-yl}azepane |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C20 H26 N6 O4 S |
| Smiles: | C1CCCN(CC1)c1ccc(nn1)N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6512 |
| logD: | 3.6384 |
| logSw: | -3.8778 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.045 |
| InChI Key: | TXKKQMGNVMBJKR-UHFFFAOYSA-N |